Project name: query_structure

Chain sequence(s)	A: FHLLREVLEAARAEQLAQQAHKNRKLAEII
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:28)

• Minimal score value: -4.1217
• Maximal score value: 2.2137
• Average score: -1.4239
• Total score value: -42.7185

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	F	A	1.7621
2	H	A	0.4743
3	L	A	1.5443
4	L	A	1.7508
5	R	A	-0.7194
6	E	A	-1.2218
7	V	A	0.5896
8	L	A	0.0059
9	E	A	-2.1179
10	A	A	-1.4548
11	A	A	-1.6692
12	R	A	-2.7515
13	A	A	-1.9868
14	E	A	-3.0435
15	Q	A	-2.9744
16	L	A	-1.3621
17	A	A	-2.0724
18	Q	A	-3.3488
19	Q	A	-3.0266
20	A	A	-2.7673
21	H	A	-3.6434
22	K	A	-4.1217
23	N	A	-3.7257
24	R	A	-3.9987
25	K	A	-3.2657
26	L	A	-0.9841
27	A	A	-1.0269
28	E	A	-1.3282
29	I	A	1.5517
30	I	A	2.2137